N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

C12H16N4OS — CID 665468

IUPACN,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C12H16N4OS/c1-3-16(4-2)10(17)8-18-12-14-9-6-5-7-13-11(9)15-12/h5-7H,3-4,8H2,1-2H3,(H,13,14,15)
InChIKeyDKOZGSFCBXVOGB-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.92
Rot. Bonds5

About N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide

N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (PubChem CID 665468) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
PubChem CID665468
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
SMILESCCN(CC)C(=O)CSc1nc2ncccc2[nH]1
InChIInChI=1S/C12H16N4OS/c1-3-16(4-2)10(17)8-18-12-14-9-6-5-7-13-11(9)15-12/h5-7H,3-4,8H2,1-2H3,(H,13,14,15)
InChIKeyDKOZGSFCBXVOGB-UHFFFAOYSA-N
XLogP1.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The IUPAC name of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide (CID 665468) is N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is CCN(CC)C(=O)CSc1nc2ncccc2[nH]1.
What is the InChIKey of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
The InChIKey is DKOZGSFCBXVOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-16(4-2)10(17)8-18-12-14-9-6-5-7-13-11(9)15-12/h5-7H,3-4,8H2,1-2H3,(H,13,14,15).
What are the key properties of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide?
N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 665468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).